N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C13H11FN4O2S — CID 16780011

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccc(F)cc1)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H11FN4O2S/c1-16(8-9-2-4-10(14)5-3-9)11-12(18(19)20)17-6-7-21-13(17)15-11/h2-7H,8H2,1H3
InChIKeyPUJGXORPZMIUMF-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.08
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 16780011) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID16780011
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccc(F)cc1)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H11FN4O2S/c1-16(8-9-2-4-10(14)5-3-9)11-12(18(19)20)17-6-7-21-13(17)15-11/h2-7H,8H2,1H3
InChIKeyPUJGXORPZMIUMF-UHFFFAOYSA-N
XLogP3.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 16780011) is N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is CN(Cc1ccc(F)cc1)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is PUJGXORPZMIUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c1-16(8-9-2-4-10(14)5-3-9)11-12(18(19)20)17-6-7-21-13(17)15-11/h2-7H,8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 306.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 16780011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).